CID 15435

2-acetylbenzofuran

Structural Information

Molecular Formula

C₁₀H₈O₂

SMILES

CC(=O)C1=CC2=CC=CC=C2O1

InChI

InChI=1S/C10H8O2/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-6H,1H3

InChIKey

YUTFQTAITWWGFH-UHFFFAOYSA-N

Compound name

1-(1-benzofuran-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 12
References: 913
Patents: 160.05243 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	161.05971	128.7
[M+Na]+	183.04165	139.2
[M-H]-	159.04515	134.9
[M+NH4]+	178.08625	151.4
[M+K]+	199.01559	138.1
[M+H-H2O]+	143.04969	123.9
[M+HCOO]-	205.05063	153.9
[M+CH3COO]-	219.06628	176.6
[M+Na-2H]-	181.02710	137.1
[M]+	160.05188	132.6
[M]-	160.05298	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe